CID 54686240

Nsc686581

Structural Information

Molecular Formula
C24H15NO8
SMILES
C1=CC=NC(=C1)C(C2=C(C3=C(C=C(C=C3)O)OC2=O)O)C4=C(C5=C(C=C(C=C5)O)OC4=O)O
InChI
InChI=1S/C24H15NO8/c26-11-4-6-13-16(9-11)32-23(30)19(21(13)28)18(15-3-1-2-8-25-15)20-22(29)14-7-5-12(27)10-17(14)33-24(20)31/h1-10,18,26-29H
InChIKey
GOILOMCGUQUBPC-UHFFFAOYSA-N
Compound name
3-[(4,7-dihydroxy-2-oxochromen-3-yl)-pyridin-2-ylmethyl]-4,7-dihydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

445.07977 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.08705 204.0
[M+Na]+ 468.06899 214.7
[M-H]- 444.07249 212.5
[M+NH4]+ 463.11359 207.8
[M+K]+ 484.04293 212.4
[M+H-H2O]+ 428.07703 192.6
[M+HCOO]- 490.07797 217.4
[M+CH3COO]- 504.09362 212.8
[M+Na-2H]- 466.05444 208.6
[M]+ 445.07922 209.5
[M]- 445.08032 209.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.